Origin of the monoclinic-to-monoclinic phase transition and evidence for the centrosymmetric crystal structure of BiMnO3

Alexei A. Belik, Satoshi Iikubo, Tadahiro Yokosawa, Katsuaki Kodama, Naoki Igawa, Shinichi Shamoto, Masaki Azuma, Mikio Takano, Koji Kimoto, Yoshio Matsui, Eiji Takayama-Muromachi

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Abstract

Structural properties of polycrystalline single-phased BiMnO3 samples prepared at 6 GPa and 1383 K have been studied by selected area electron diffraction (SAED), convergent beam electron diffraction (CBED), and the Rietveld method using neutron diffraction data measured at 300 and 550 K. The SAED and CBED data showed that BiMnO3 crystallizes in the centrosymmetric space group C2/c at 300 K. The crystallographic data are a = 9.5415(2) Å, b = 5.61263(8) Å, c = 9.8632(2) Å, β = 110.6584(12)° at 300 K and a = 9.5866(3) Å, b = 5.59903(15) Å, c = 9.7427(3) Å, β = 108.601(2)° at 550 K, Z = 8, space group C2/c. The analysis of Mn-O bond lengths suggested that the orbital order present in BiMnO3 at 300 K melts above T00 = 474 K. The phase transition at 474 K is of the first order and accompanied by a jump of magnetization and small changes of the effective magnetic moment and Weiss temperature, μeff = 4.69μB and θ = 138.0 K at 300-450 K and μeff = 4.79μB and 0 = 132.6 K at 480-600 K.

Original languageEnglish
Pages (from-to)971-977
Number of pages7
JournalJournal of the American Chemical Society
Volume129
Issue number4
DOIs
Publication statusPublished - Jan 31 2007
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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